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CHEBI:188197 - AR-42

Default Structure
ChEBI IDCHEBI:188197
ChEBI NameAR-42
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of (2S)-3-methyl-2-phenylbutanoic acid with the amino group of 4-amino-N-hydroxybenzamide. It is a pan-HDAC inhibitor that was in clinical development for the treatment of hematological malignancies and solid tumours.
Last Modified3 July 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20N2O3
Net Charge0
Average Mass312.369
Monoisotopic Mass312.14739
SMILESCC(C)[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeyLAMIXXKAWNLXOC-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
AR-42 (CHEBI:188197) has role angiogenesis inhibitor (CHEBI:48422)
AR-42 (CHEBI:188197) has role antineoplastic agent (CHEBI:35610)
AR-42 (CHEBI:188197) has role apoptosis inducer (CHEBI:68495)
AR-42 (CHEBI:188197) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
AR-42 (CHEBI:188197) is a benzenes (CHEBI:22712)
AR-42 (CHEBI:188197) is a hydroxamic acid (CHEBI:24650)
AR-42 (CHEBI:188197) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide
Synonyms  Source
AR 42DrugBank
AR42DrugBank
N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamideSUBMITTER
HDAC-42ChEBI
(S)-HDAC 42DrugBank
(S)-HDAC-42ChEBI
Manual XrefsDatabases
5294039ChemSpider
DB12707DrugBank
QCPPDBeChem
Registry NumbersSources
CAS:935881-37-1ChEBI
Citations